4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

C13H16BrN3O3 — CID 76922754

IUPAC4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESNC(=NO)C1(NC(=O)c2ccc(Br)cc2O)CCCC1
InChIInChI=1S/C13H16BrN3O3/c14-8-3-4-9(10(18)7-8)11(19)16-13(12(15)17-20)5-1-2-6-13/h3-4,7,18,20H,1-2,5-6H2,(H2,15,17)(H,16,19)
InChIKeyYVNXJAKIFKUQFX-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.94
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (PubChem CID 76922754) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
PubChem CID76922754
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESNC(=NO)C1(NC(=O)c2ccc(Br)cc2O)CCCC1
InChIInChI=1S/C13H16BrN3O3/c14-8-3-4-9(10(18)7-8)11(19)16-13(12(15)17-20)5-1-2-6-13/h3-4,7,18,20H,1-2,5-6H2,(H2,15,17)(H,16,19)
InChIKeyYVNXJAKIFKUQFX-UHFFFAOYSA-N
XLogP1.94
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
CID 107940507
4-bromo-3-fluoro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]benzamide
CID 76914012
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76931277
N-(1-carbamothioylcyclopentyl)-2,4-dihydroxybenzamide
CID 107722057
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671945
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
CID 76931291
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
CID 76922753
2-chloro-3-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 81461993
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (CID 76922754) is 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is NC(=NO)C1(NC(=O)c2ccc(Br)cc2O)CCCC1.
What is the InChIKey of 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The InChIKey is YVNXJAKIFKUQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-8-3-4-9(10(18)7-8)11(19)16-13(12(15)17-20)5-1-2-6-13/h3-4,7,18,20H,1-2,5-6H2,(H2,15,17)(H,16,19).
What are the key properties of 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide has a molecular weight of 342.19 g/mol, XLogP of 1.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is sourced from PubChem (CID 76922754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).